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Merge branch 'prints_to_logs' of https://github.com/martimunicoy/offpele
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martimunicoy committed Sep 14, 2020
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Expand Up @@ -13,6 +13,10 @@ Releases follow the ``major.minor.micro`` scheme recommended by `PEP440 <https:/

This is a micro release that includes general bug fixes and stability improvements. It is still a preliminary version of the Open Force Field to PELE package which is under development.

New features
""""""""""""
- `PR #55 <https://github.com/martimunicoy/offpele/pull/55>`_: Standard output prints follow the logging hierarchy and can be modified by the user.

Bugfixes
""""""""
- `PR #48 <https://github.com/martimunicoy/offpele/pull/48>`_: Fixes CLI's default output paths.
Expand All @@ -22,6 +26,8 @@ Tests added
"""""""""""
- `PR #48 <https://github.com/martimunicoy/offpele/pull/48>`_: Adds tests to validate the assignment of the default output paths.
- `PR #52 <https://github.com/martimunicoy/offpele/pull/52>`_: Adds tests to validate the initialization using a connectivity template.
- `PR #55 <https://github.com/martimunicoy/offpele/pull/55>`_: Adds tests for the new Logger class.


0.3.0 - Rotamers, OPLS2005, SMILES and stability improvements
-------------------------------------------------------------
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